We studied structural and optoelectronic properties by using first principle calculation of flexible thin film of CuGaS2 using Tran Blaha-modified Becke Johnson (TB-mBJ) within density functional theory (DFT). This computational work is performed under full potential linearized augmented plane wave (FP-LAPW) method for finding the solution of the Kohn–Sham equations and it is based on Wein2k code. The density of states and band structure calculated for analyzing the electronic behavior of the flexible thin film of CuGaS2 by utilizing the TB-mBJ exchange–correlation potential. The direct band gap is 1.42 eV which is investigated through band structure that indicates its semiconductor response for the photovoltaic applications. The flexible thin film of CuGaS2 constructed with \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${2} \times {2} \times {2}$$\end{document} dimension and vacuum of 10 Bohr along z-direction. We report optical properties like complex dielectric tensor at zero eV is 5.12 and integrated absorption coefficient is 64.868 (×104 eV/cm) of CuGaS2 thin film. The reflectivity of material is 15% which showing its usefulness in optoelectronic devices.


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    Title :

    Optoelectronic Analysis of CuGaS2-Based Flexible Thin Film Solar Cell: First Principle Investigation


    Additional title:

    Lect. Notes Electrical Eng.


    Contributors:


    Publication date :

    2022-10-05


    Size :

    6 pages





    Type of media :

    Article/Chapter (Book)


    Type of material :

    Electronic Resource


    Language :

    English